Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ths_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG TYR 5.A OH no hydrogen 2.634 N/A ARG 8.A NH2 PRO 18.A O no hydrogen 2.991 N/A GLY 11.A N GLN 20.A OE1 no hydrogen 3.488 N/A GLU 15.A N GLU 15.A OE2 no hydrogen 2.669 N/A ILE 17.A N ALA 14.A O no hydrogen 3.255 N/A GLN 20.A NE2 SER 9.A O no hydrogen 2.880 N/A GLN 20.A NE2 VAL 12.A O no hydrogen 3.275 N/A ALA 22.A N ASP 19.A O no hydrogen 3.054 N/A GLY 24.A N TYR 21.A O no hydrogen 3.326 N/A ARG 28.A N GLY 24.A O no hydrogen 2.957 N/A ARG 28.A NH2 SER 227.A OG no hydrogen 3.208 N/A VAL 29.A N GLU 25.A O no hydrogen 2.988 N/A TRP 30.A N ALA 26.A O no hydrogen 2.978 N/A GLN 31.A N ALA 27.A O no hydrogen 2.923 N/A TYR 33.A N VAL 29.A O no hydrogen 3.326 N/A ILE 34.A N TRP 30.A O no hydrogen 3.069 N/A GLY 35.A N GLN 31.A O no hydrogen 3.145 N/A ASP 36.A N TYR 33.A O no hydrogen 3.209 N/A THR 37.A N GLY 35.A O no hydrogen 2.759 N/A SER 39.A OG ASP 197.A OD1 no hydrogen 2.739 N/A ARG 40.A NH1 VAL 69.A O no hydrogen 2.883 N/A ARG 40.A NH2 VAL 69.A O no hydrogen 3.529 N/A THR 41.A N TYR 193.A O no hydrogen 2.806 N/A THR 41.A OG1 ILE 192.A O no hydrogen 2.758 N/A TYR 44.A N THR 41.A OG1 no hydrogen 2.976 N/A TYR 44.A OH ASP 70.A OD1 no hydrogen 2.588 N/A LYS 45.A N THR 41.A O no hydrogen 3.297 N/A ALA 46.A N ALA 42.A O no hydrogen 3.014 N/A TRP 47.A N GLU 43.A O no hydrogen 3.196 N/A LEU 48.A N TYR 44.A O no hydrogen 3.007 N/A LEU 49.A N LYS 45.A O no hydrogen 2.844 N/A GLY 50.A N ALA 46.A O no hydrogen 2.780 N/A LEU 51.A N TRP 47.A O no hydrogen 2.757 N/A LEU 52.A N LEU 48.A O no hydrogen 3.006 N/A ARG 53.A N LEU 49.A O no hydrogen 2.932 N/A ARG 53.A NH2 GLU 77.A O no hydrogen 3.031 N/A GLN 54.A N GLY 50.A O no hydrogen 3.030 N/A HIS 55.A N LEU 51.A O no hydrogen 3.162 N/A HIS 55.A ND1 LEU 51.A O no hydrogen 3.243 N/A GLY 56.A N ARG 53.A O no hydrogen 3.013 N/A CYS 57.A N LEU 52.A O no hydrogen 3.013 N/A CYS 57.A SG LEU 52.A O no hydrogen 3.878 N/A CYS 57.A SG ASP 131.A O no hydrogen 3.933 N/A HIS 58.A N ASP 131.A OD2 no hydrogen 2.780 N/A ARG 59.A N ASP 131.A OD2 no hydrogen 2.930 N/A VAL 60.A N SER 80.A O no hydrogen 2.939 N/A LEU 61.A N ALA 132.A O no hydrogen 2.898 N/A ASP 62.A N THR 82.A O no hydrogen 2.834 N/A VAL 63.A N ILE 134.A O no hydrogen 3.072 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 2.982 N/A CYS 65.A N VAL 84.A O no hydrogen 2.997 N/A CYS 65.A SG GLY 66.A O no hydrogen 3.554 N/A GLY 66.A N ASP 85.A OD2 no hydrogen 2.640 N/A GLY 68.A N CYS 65.A O no hydrogen 2.960 N/A SER 71.A OG ASP 62.A OD2 no hydrogen 2.895 N/A SER 71.A OG SER 83.A OG no hydrogen 2.844 N/A ILE 72.A N GLY 68.A O no hydrogen 2.645 N/A LEU 74.A N ASP 70.A O no hydrogen 3.492 N/A VAL 75.A N SER 71.A O no hydrogen 2.936 N/A GLU 76.A N ILE 72.A O no hydrogen 2.900 N/A GLU 77.A N MET 73.A O no hydrogen 2.736 N/A GLY 78.A N VAL 75.A O no hydrogen 2.968 N/A PHE 79.A N LEU 74.A O no hydrogen 3.134 N/A SER 80.A N HIS 58.A O no hydrogen 2.988 N/A THR 82.A N VAL 60.A O no hydrogen 2.970 N/A SER 83.A N VAL 111.A O no hydrogen 2.626 N/A SER 83.A OG SER 71.A OG no hydrogen 2.844 N/A VAL 84.A N ASP 62.A O no hydrogen 2.929 N/A ASP 85.A N GLU 113.A O no hydrogen 3.314 N/A SER 87.A N ASP 85.A OD1 no hydrogen 2.860 N/A MET 90.A N SER 87.A OG no hydrogen 3.251 N/A LEU 91.A N SER 87.A O no hydrogen 3.150 N/A LYS 92.A N ASP 88.A O no hydrogen 2.973 N/A TYR 93.A N MET 90.A O no hydrogen 2.978 N/A LEU 95.A N LEU 91.A O no hydrogen 3.039 N/A LYS 96.A N LYS 92.A O no hydrogen 3.163 N/A GLU 97.A N TYR 93.A O no hydrogen 3.226 N/A ARG 98.A N ALA 94.A O no hydrogen 3.047 N/A ARG 98.A NH1 TRP 110.A O no hydrogen 2.834 N/A TRP 99.A N LEU 95.A O no hydrogen 2.938 N/A ASN 100.A N LYS 96.A O no hydrogen 2.947 N/A ARG 101.A N GLU 97.A O no hydrogen 3.019 N/A ARG 101.A N ARG 98.A O no hydrogen 2.957 N/A ARG 101.A NE GLU 104.A OE2 no hydrogen 2.906 N/A ARG 101.A NH1 GLU 76.A OE2 no hydrogen 2.792 N/A ARG 101.A NH1 GLU 97.A OE1 no hydrogen 3.369 N/A ARG 101.A NH2 GLU 76.A OE2 no hydrogen 2.938 N/A ARG 101.A NH2 GLU 104.A OE1 no hydrogen 3.414 N/A ARG 101.A NH2 GLU 104.A OE2 no hydrogen 3.475 N/A ARG 102.A N TRP 99.A O no hydrogen 3.129 N/A ARG 102.A NH1 TRP 99.A O no hydrogen 2.887 N/A GLU 104.A N ARG 101.A O no hydrogen 3.053 N/A PHE 107.A N GLU 104.A O no hydrogen 2.890 N/A ASP 108.A N GLU 104.A O no hydrogen 3.159 N/A LYS 109.A N PRO 105.A O no hydrogen 3.095 N/A LYS 109.A N ALA 106.A O no hydrogen 3.219 N/A LYS 109.A NZ PRO 105.A O no hydrogen 3.316 N/A TRP 110.A N PHE 107.A O no hydrogen 2.989 N/A TRP 110.A NE1 SER 83.A OG no hydrogen 2.701 N/A VAL 111.A N VAL 81.A O no hydrogen 3.137 N/A GLU 113.A N SER 83.A O no hydrogen 2.942 N/A ALA 115.A N ASP 85.A O no hydrogen 2.903 N/A ASN 116.A N ASP 123.A OD2 no hydrogen 3.054 N/A TRP 117.A NE1 VAL 63.A O no hydrogen 2.841 N/A LEU 118.A N ASN 116.A OD1 no hydrogen 3.043 N/A THR 119.A N ASN 116.A O no hydrogen 2.969 N/A THR 119.A OG1 ASN 116.A O no hydrogen 3.516 N/A THR 119.A OG1 ASP 123.A OD2 no hydrogen 2.525 N/A LYS 122.A N ASP 121.A OD1 no hydrogen 2.754 N/A ASP 123.A N THR 119.A O no hydrogen 2.896 N/A VAL 124.A N LEU 120.A O no hydrogen 3.087 N/A GLY 129.A N ALA 126.A O no hydrogen 2.600 N/A PHE 130.A N MET 163.A O no hydrogen 2.834 N/A ASP 131.A N ARG 59.A O no hydrogen 2.879 N/A ALA 132.A N ARG 59.A O no hydrogen 3.375 N/A VAL 133.A N LEU 169.A O no hydrogen 2.921 N/A ILE 134.A N LEU 61.A O no hydrogen 2.862 N/A CYS 135.A N VAL 171.A O no hydrogen 2.874 N/A GLY 137.A N ASP 173.A OD2 no hydrogen 2.828 N/A ASN 138.A N ASP 173.A OD1 no hydrogen 2.937 N/A ASN 138.A N ASP 173.A OD2 no hydrogen 3.400 N/A ASN 138.A ND2 TYR 177.A OH no hydrogen 2.950 N/A SER 139.A OG LEU 136.A O no hydrogen 3.550 N/A HIS 142.A N SER 139.A O no hydrogen 3.002 N/A LEU 143.A N PHE 140.A O no hydrogen 3.036 N/A SER 146.A OG GLU 152.A OE1 no hydrogen 3.015 N/A SER 146.A OG GLU 152.A OE2 no hydrogen 2.780 N/A LYS 147.A N GLU 152.A OE1 no hydrogen 3.012 N/A GLN 150.A N ASP 145.A OD1 no hydrogen 3.049 N/A GLN 150.A N ASP 145.A OD2 no hydrogen 3.080 N/A SER 151.A N ASP 149.A OD1 no hydrogen 2.737 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.639 N/A SER 151.A OG ASP 149.A OD2 no hydrogen 3.358 N/A HIS 153.A ND1 GLN 150.A OE1 no hydrogen 3.317 N/A HIS 153.A NE2 LEU 143.A O no hydrogen 2.682 N/A ARG 154.A N GLN 150.A O no hydrogen 3.062 N/A ARG 154.A NH1 GLU 247.A OE2 no hydrogen 3.297 N/A ARG 154.A NH2 ASP 149.A O no hydrogen 2.984 N/A LEU 155.A N SER 151.A O no hydrogen 3.088 N/A ALA 156.A N GLU 152.A O no hydrogen 3.047 N/A LEU 157.A N HIS 153.A O no hydrogen 3.060 N/A LYS 158.A N ARG 154.A O no hydrogen 2.893 N/A ASN 159.A N LEU 155.A O no hydrogen 2.906 N/A ASN 159.A ND2 TRP 117.A O no hydrogen 2.803 N/A ILE 160.A N ALA 156.A O no hydrogen 2.893 N/A ALA 161.A N LEU 157.A O no hydrogen 2.676 N/A SER 162.A N LYS 158.A O no hydrogen 3.012 N/A SER 162.A N ASN 159.A O no hydrogen 2.985 N/A SER 162.A OG ASN 159.A O no hydrogen 2.860 N/A MET 163.A N ILE 160.A O no hydrogen 3.229 N/A VAL 164.A N ALA 161.A O no hydrogen 3.151 N/A ARG 165.A N PHE 130.A O no hydrogen 3.025 N/A GLY 167.A N LYS 281.A O no hydrogen 2.706 N/A GLY 168.A N ARG 165.A O no hydrogen 2.801 N/A LEU 169.A N ASP 131.A O no hydrogen 2.932 N/A LEU 170.A N LEU 279.A O no hydrogen 2.875 N/A VAL 171.A N VAL 133.A O no hydrogen 2.933 N/A ILE 172.A N HIS 277.A O no hydrogen 3.024 N/A ASP 173.A N CYS 135.A O no hydrogen 3.278 N/A HIS 174.A N PHE 275.A O no hydrogen 3.055 N/A HIS 174.A ND1 ARG 175.A O no hydrogen 2.913 N/A HIS 174.A NE2 HIS 277.A NE2 no hydrogen 2.924 N/A ARG 175.A N ASN 138.A OD1 no hydrogen 2.800 N/A ARG 175.A NH2 PRO 187.A O no hydrogen 2.861 N/A ASN 176.A N CYS 273.A O no hydrogen 2.765 N/A ASN 176.A ND2 PRO 272.A O no hydrogen 2.973 N/A ASP 178.A N ASN 176.A OD1 no hydrogen 3.055 N/A TYR 179.A N ASN 176.A OD1 no hydrogen 3.147 N/A ILE 180.A N ASN 176.A O no hydrogen 3.427 N/A LEU 181.A N TYR 177.A O no hydrogen 3.105 N/A SER 182.A N ASP 178.A O no hydrogen 3.098 N/A SER 182.A OG ASP 178.A O no hydrogen 3.336 N/A SER 182.A OG TYR 179.A O no hydrogen 3.110 N/A THR 183.A N TYR 179.A O no hydrogen 2.895 N/A THR 183.A OG1 TYR 179.A O no hydrogen 3.110 N/A THR 183.A OG1 CYS 185.A O no hydrogen 3.282 N/A GLY 184.A N ILE 180.A O no hydrogen 2.685 N/A CYS 185.A N THR 183.A OG1 no hydrogen 3.197 N/A CYS 185.A SG THR 183.A O no hydrogen 3.839 N/A ALA 186.A N THR 204.A OG1 no hydrogen 3.106 N/A TYR 193.A N ASN 191.A OD1 no hydrogen 2.767 N/A TYR 194.A N ASN 191.A OD1 no hydrogen 2.889 N/A TYR 194.A OH ASP 70.A OD1 no hydrogen 2.729 N/A LYS 195.A N SER 39.A O no hydrogen 2.734 N/A SER 196.A OG ASP 36.A OD2 no hydrogen 2.822 N/A SER 196.A OG LEU 198.A O no hydrogen 2.857 N/A ASP 197.A N ASP 36.A OD1 no hydrogen 2.916 N/A ASP 201.A N THR 221.A O no hydrogen 3.167 N/A THR 203.A N ASP 219.A O no hydrogen 3.010 N/A SER 205.A N THR 217.A O no hydrogen 2.753 N/A LEU 207.A N MET 215.A O no hydrogen 2.919 N/A VAL 209.A N LYS 212.A O no hydrogen 2.949 N/A LYS 212.A N VAL 209.A O no hydrogen 3.140 N/A HIS 214.A N LEU 207.A O no hydrogen 2.927 N/A VAL 216.A N TYR 233.A O no hydrogen 2.999 N/A THR 217.A N SER 205.A O no hydrogen 2.822 N/A THR 217.A OG1 SER 232.A OG no hydrogen 2.524 N/A LEU 218.A N LEU 231.A O no hydrogen 3.000 N/A ASP 219.A N THR 203.A O no hydrogen 2.954 N/A TYR 220.A N PHE 229.A O no hydrogen 2.733 N/A TYR 220.A OH TYR 233.A OH no hydrogen 2.528 N/A THR 221.A N ASP 201.A O no hydrogen 2.898 N/A THR 221.A OG1 ASP 201.A O no hydrogen 3.503 N/A VAL 222.A N SER 227.A O no hydrogen 3.070 N/A VAL 224.A N GLY 225.A O no hydrogen 3.217 N/A SER 227.A N VAL 222.A O no hydrogen 3.202 N/A SER 227.A OG GLU 25.A OE1 no hydrogen 2.310 N/A PHE 229.A N TYR 220.A O no hydrogen 3.024 N/A ARG 230.A NE ASP 219.A OD1 no hydrogen 2.766 N/A ARG 230.A NH2 ASP 219.A OD1 no hydrogen 3.525 N/A ARG 230.A NH2 ASP 219.A OD2 no hydrogen 3.157 N/A LEU 231.A N LEU 218.A O no hydrogen 3.137 N/A SER 232.A OG THR 217.A OG1 no hydrogen 2.524 N/A TYR 233.A N VAL 216.A O no hydrogen 2.837 N/A TYR 233.A OH TYR 220.A OH no hydrogen 2.528 N/A TYR 234.A N ALA 141.A O no hydrogen 2.686 N/A HIS 236.A N TYR 234.A O no hydrogen 3.106 N/A LEU 238.A N ASP 178.A OD1 no hydrogen 3.068 N/A PHE 241.A N CYS 237.A O no hydrogen 2.920 N/A THR 242.A N LEU 238.A O no hydrogen 2.877 N/A THR 242.A OG1 LEU 238.A O no hydrogen 2.861 N/A GLU 243.A N ALA 239.A O no hydrogen 3.211 N/A LEU 244.A N SER 240.A O no hydrogen 2.819 N/A VAL 245.A N PHE 241.A O no hydrogen 2.787 N/A GLN 246.A N THR 242.A O no hydrogen 3.348 N/A GLN 246.A NE2 THR 242.A O no hydrogen 3.159 N/A GLU 247.A N GLU 243.A O no hydrogen 2.993 N/A ALA 248.A N LEU 244.A O no hydrogen 3.155 N/A PHE 249.A N GLN 246.A O no hydrogen 2.980 N/A GLY 250.A N GLU 247.A O no hydrogen 2.762 N/A GLY 251.A N GLN 246.A O no hydrogen 3.077 N/A ARG 252.A N PHE 249.A O no hydrogen 2.881 N/A CYS 253.A N GLY 251.A O no hydrogen 3.021 N/A GLN 254.A N LYS 280.A O no hydrogen 2.783 N/A HIS 255.A NE2 HIS 277.A ND1 no hydrogen 2.999 N/A SER 256.A N VAL 278.A O no hydrogen 2.995 N/A LEU 258.A N ILE 276.A O no hydrogen 2.733 N/A GLY 259.A N LYS 262.A O no hydrogen 2.668 N/A ASP 260.A N TYR 274.A O no hydrogen 3.039 N/A LYS 262.A N GLY 259.A O no hydrogen 3.091 N/A TYR 264.A N VAL 257.A O no hydrogen 3.240 N/A ARG 265.A N GLN 268.A OE1 no hydrogen 2.877 N/A GLN 268.A N ARG 265.A O no hydrogen 2.885 N/A GLN 268.A NE2 TYR 270.A O no hydrogen 2.906 N/A TYR 270.A OH ASP 260.A OD2 no hydrogen 2.688 N/A CYS 273.A N ASP 260.A OD2 no hydrogen 2.884 N/A CYS 273.A SG LYS 190.A O no hydrogen 3.737 N/A TYR 274.A N ASP 260.A OD1 no hydrogen 2.844 N/A PHE 275.A N HIS 174.A O no hydrogen 2.958 N/A ILE 276.A N LEU 258.A O no hydrogen 2.855 N/A HIS 277.A N ILE 172.A O no hydrogen 2.814 N/A HIS 277.A ND1 HIS 255.A NE2 no hydrogen 2.999 N/A HIS 277.A NE2 HIS 174.A NE2 no hydrogen 2.924 N/A VAL 278.A N SER 256.A O no hydrogen 2.853 N/A LEU 279.A N LEU 170.A O no hydrogen 2.867 N/A LYS 280.A N GLN 254.A O no hydrogen 2.904 N/A LYS 281.A N GLY 168.A O no hydrogen 2.861 N/A LYS 281.A NZ VAL 164.A O no hydrogen 2.974 N/A THR 282.A N ARG 252.A O no hydrogen 3.012 N/A